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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-1213555
  • Created at: Sept. 4, 2022, 3:38 p.m.
  • Last updated at: Sept. 4, 2022, 3:38 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Pt', 'Zn', 'Zr']
  • Chemical System: Pt-Zn-Zr
  • Density: 11.984293598332275
  • Atomic Density: 0.05894309385934944
  • Unit Cell Volume: 84.82757983371295
  • Molar Volume: 10.216872521775135
  • Full Formula: Zr1 Zn2 Pt2
  • Reduced Formula: Zr(ZnPt)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm